methyl 3-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H34N3O4+ MolecularWeight: 416.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C23H33N3O4/c1-3-24-13-15-25(16-14-24)21(27)8-7-18-9-11-26(12-10-18)22(28)19-5-4-6-20(17-19)23(29)30-2/h4-6,17-18H,3,7-16H2,1-2H3/p+1