ethyl 4-[3-[(diphenylmethyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-[(diphenylmethyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(benzhydrylamino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-[(diphenylmethyl)amino]-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzhydrylamino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(benzhydrylamino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-29-23(28)26-17-15-25(16-18-26)14-13-21(27)24-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,22H,2,13-18H2,1H3,(H,24,27)/p+1