methyl 2-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[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=C3C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

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