1-[2-(2-methylphenyl)ethanoyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[2-(2-methylphenyl)ethanoyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[2-(o-tolyl)acetyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[2-(2-methylphenyl)-1-oxoethyl]-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[2-(2-methylphenyl)acetyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[2-(o-tolyl)acetyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H31N3O2/c1-18-7-3-4-8-19(18)17-21(26)23-12-9-20(25)24(16-15-23)14-13-22-10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-17H2,1H3/p+1