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

Systemtic Name: 1-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-cyclohexyl-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCCCC4

InChI

InChI=1S/C22H35N3O/c1-26-22-12-6-5-11-21(22)24-16-14-23(15-17-24)20-10-7-13-25(18-20)19-8-3-2-4-9-19/h5-6,11-12,19-20H,2-4,7-10,13-18H2,1H3/p+1/t20-/m0/s1