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

Systemtic Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(cyclopropylmethyl)-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4CC4

InChI

InChI=1S/C20H31N3O/c1-24-20-8-6-18(7-9-20)22-11-13-23(14-12-22)19-3-2-10-21(16-19)15-17-4-5-17/h6-9,17,19H,2-5,10-16H2,1H3/p+1/t19-/m0/s1