methyl 4-oxidanylidene-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]butanoate Openeye Name: methyl 4-oxo-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]butanoate CAS Name: 4-oxo-4-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]butanoate Traditional Name: 4-keto-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]butyric acid methyl ester Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3/c1-26-20(25)10-9-19(24)23-11-5-8-18(16-23)22-14-12-21(13-15-22)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3/p+1/t18-/m0/s1