1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C23H38N3O+ MolecularWeight: 372.56732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCCCCC4

InChI

InChI=1S/C23H37N3O/c1-27-23-13-7-6-12-22(23)25-17-15-24(16-18-25)21-11-8-14-26(19-21)20-9-4-2-3-5-10-20/h6-7,12-13,20-21H,2-5,8-11,14-19H2,1H3/p+1/t21-/m0/s1