1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[(E)-3-(2-chlorophenyl)acryloyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN3O2/c21-18-6-2-1-5-17(18)7-8-19(25)23-12-9-20(26)24(16-15-23)14-13-22-10-3-4-11-22/h1-2,5-8H,3-4,9-16H2/p+1/b8-7+