bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(4-pyrrolidin-1-ylbutyl)azanium

Systemtic Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(4-pyrrolidin-1-ylbutyl)azanium Openeye Name: bis(tert-butoxycarbonylamino)methylene-[(4-chlorophenyl)methyl]-(4-pyrrolidin-1-ylbutyl)ammonium CAS Name: bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene-[(4-chlorophenyl)methyl]-[4-(1-pyrrolidinyl)butyl]ammonium IUPAC Name: bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene-[(4-chlorophenyl)methyl]-(4-pyrrolidin-1-ylbutyl)azanium Traditional Name: bis(tert-butoxycarbonylamino)methylene-(4-chlorobenzyl)-(4-pyrrolidinobutyl)ammonium Formula: C26H42ClN4O4+ MolecularWeight: 510.08908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=[N+](CCCCN1CCCC1)CC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=[N+](CCCCN1CCCC1)CC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H41ClN4O4/c1-25(2,3)34-23(32)28-22(29-24(33)35-26(4,5)6)31(19-20-11-13-21(27)14-12-20)18-10-9-17-30-15-7-8-16-30/h11-14H,7-10,15-19H2,1-6H3,(H,28,29,32,33)/p+1