2,5-dihydro-1H-pyrrol-3-yl-[3-(1-methylindol-3-yl)-2-oxidanylidene-propyl]azanium; (5-oxidanylidene-6H-indol-1-yl)methanesulfonate

Systemtic Name: 2,5-dihydro-1H-pyrrol-3-yl-[3-(1-methylindol-3-yl)-2-oxidanylidene-propyl]azanium; (5-oxidanylidene-6H-indol-1-yl)methanesulfonate Openeye Name: 2,5-dihydro-1H-pyrrol-3-yl-[3-(1-methylindol-3-yl)-2-oxo-propyl]ammonium; (5-oxo-6H-indol-1-yl)methanesulfonate CAS Name: 2,5-dihydro-1H-pyrrol-3-yl-[3-(1-methyl-3-indolyl)-2-oxopropyl]ammonium; (5-oxo-6H-indol-1-yl)methanesulfonate IUPAC Name: 2,5-dihydro-1H-pyrrol-3-yl-[3-(1-methylindol-3-yl)-2-oxopropyl]azanium; (5-oxo-6H-indol-1-yl)methanesulfonate Traditional Name: (5-keto-6H-indol-1-yl)methanesulfonate; [2-keto-3-(1-methylindol-3-yl)propyl]-(3-pyrrolin-3-yl)ammonium Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(=O)C[NH2+]C3=CCNC3.C1C=C2C(=CC1=O)C=CN2CS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(=O)C[NH2+]C3=CCNC3.C1C=C2C(=CC1=O)C=CN2CS(=O)(=O)[O-]

InChI

InChI=1S/C16H19N3O.C9H9NO4S/c1-19-11-12(15-4-2-3-5-16(15)19)8-14(20)10-18-13-6-7-17-9-13;11-8-1-2-9-7(5-8)3-4-10(9)6-15(12,13)14/h2-6,11,17-18H,7-10H2,1H3;2-5H,1,6H2,(H,12,13,14)