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

Systemtic Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(3-cyclopentylpropyl)-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CCCC4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CCCC4CCCC4

InChI

InChI=1S/C24H39N3O/c1-28-24-13-5-4-12-23(24)27-18-16-26(17-19-27)22-11-7-15-25(20-22)14-6-10-21-8-2-3-9-21/h4-5,12-13,21-22H,2-3,6-11,14-20H2,1H3/p+1/t22-/m0/s1