1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(3-cyclopentylpropyl)-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CCCC4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CCCC4CCCC4

InChI

InChI=1S/C24H39N3O/c1-28-24-12-10-22(11-13-24)26-16-18-27(19-17-26)23-9-5-15-25(20-23)14-4-8-21-6-2-3-7-21/h10-13,21,23H,2-9,14-20H2,1H3/p+1/t23-/m0/s1