ethyl 4-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H28N4O3/c1-4-25-18(24)22-11-9-21(10-12-22)14-17(23)19-13-15-5-7-16(8-6-15)20(2)3/h5-8H,4,9-14H2,1-3H3,(H,19,23)/p+1