1-(1H-indol-2-ylcarbonyl)-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CC[NH+](CC1)CCN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O2/c26-20-8-11-25(15-14-24(20)13-12-23-9-4-1-5-10-23)21(27)19-16-17-6-2-3-7-18(17)22-19/h2-3,6-7,16,22H,1,4-5,8-15H2/p+1