1-[3-(4-methylphenyl)propanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[3-(4-methylphenyl)propanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[3-(p-tolyl)propanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[3-(4-methylphenyl)-1-oxopropyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[3-(4-methylphenyl)propanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[3-(p-tolyl)propanoyl]-4-(2-pyrrolidin-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=C(C=C1)CCC(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCC3

InChI

InChI=1S/C21H31N3O2/c1-18-4-6-19(7-5-18)8-9-20(25)23-13-10-21(26)24(17-16-23)15-14-22-11-2-3-12-22/h4-7H,2-3,8-17H2,1H3/p+1