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

Systemtic Name: methyl 2-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[(3R)-3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3R)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[(3R)-3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H31N3O4/c1-23-12-14-24(15-13-23)20(26)10-9-17-6-5-11-25(16-17)21(27)18-7-3-4-8-19(18)22(28)29-2/h3-4,7-8,17H,5-6,9-16H2,1-2H3/p+1/t17-/m1/s1