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

Systemtic Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]butyric acid methyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCC(=O)OC

InChI

InChI=1S/C21H31N3O4/c1-27-19-7-5-17(6-8-19)22-12-14-23(15-13-22)18-4-3-11-24(16-18)20(25)9-10-21(26)28-2/h5-8,18H,3-4,9-16H2,1-2H3/p+1/t18-/m0/s1