N-cyclopropyl-2-[4-[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-(4-ethoxyphenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[4-(4-ethoxyphenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(4-keto-4-p-phenetyl-butanoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C21H29N3O4/c1-2-28-18-7-3-16(4-8-18)19(25)9-10-21(27)24-13-11-23(12-14-24)15-20(26)22-17-5-6-17/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H,22,26)/p+1