1-[(5-methyl-1H-indol-2-yl)carbonyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(5-methyl-1H-indol-2-yl)carbonyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(5-methyl-1H-indole-2-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[(5-methyl-1H-indol-2-yl)-oxomethyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(5-methyl-1H-indole-2-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(5-methyl-1H-indole-2-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC(=O)N(CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC(=O)N(CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C21H28N4O2/c1-16-4-5-18-17(14-16)15-19(22-18)21(27)25-9-6-20(26)24(12-13-25)11-10-23-7-2-3-8-23/h4-5,14-15,22H,2-3,6-13H2,1H3/p+1