3-(acridin-4-ylcarbonylamino)propyl-(2-azanylethyl)azanide; cobalt(3+); (3-methyl-4-oxidaniumylidene-pent-2-en-2-yl)oxidanium

Systemtic Name: 3-(acridin-4-ylcarbonylamino)propyl-(2-azanylethyl)azanide; cobalt(3+); (3-methyl-4-oxidaniumylidene-pent-2-en-2-yl)oxidanium Openeye Name: cobaltic; 3-(acridine-4-carbonylamino)propyl-(2-aminoethyl)azanide; (1,2-dimethyl-3-oxonio-but-2-enylidene)oxonium CAS Name: 3-[[4-acridinyl(oxo)methyl]amino]propyl-(2-aminoethyl)azanide; cobalt(3+); (3-methyl-4-oxoniopent-3-en-2-ylidene)oxonium IUPAC Name: 3-(acridine-4-carbonylamino)propyl-(2-aminoethyl)azanide; cobalt(3+); (3-methyl-4-oxoniopent-3-en-2-ylidene)oxidanium Traditional Name: cobaltic; 3-(acridine-4-carbonylamino)propyl-(2-aminoethyl)azanide; (1,2-dimethyl-3-oxonio-but-2-enylidene)oxonium Formula: C31H45CoN4O5+6 MolecularWeight: 612.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)[OH2+])C(=[OH+])C.CC(=C(C)[OH2+])C(=[OH+])C.C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCC[N-]CCN.[Co+3]

Isomeric SMILES

CC(=C(C)[OH2+])C(=[OH+])C.CC(=C(C)[OH2+])C(=[OH+])C.C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCC[N-]CCN.[Co+3]

InChI

InChI=1S/C19H21N4O.2C6H10O2.Co/c20-9-12-21-10-4-11-22-19(24)16-7-3-6-15-13-14-5-1-2-8-17(14)23-18(15)16;2*1-4(5(2)7)6(3)8;/h1-3,5-8,13H,4,9-12,20H2,(H,22,24);2*7H,1-3H3;/q-1;;;+3/p+4