2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-(1H-indol-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C25H30N5+ MolecularWeight: 400.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CNC5=CC=CC=C54)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CNC5=CC=CC=C54)C)C

InChI

InChI=1S/C25H29N5/c1-17-13-22-19(3)27-25(28-24(22)14-18(17)2)30-10-6-9-29(11-12-30)16-20-15-26-23-8-5-4-7-21(20)23/h4-5,7-8,13-15,26H,6,9-12,16H2,1-3H3/p+1