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

Systemtic Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(cyclopropylmethyl)-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C20H32N3O+ MolecularWeight: 330.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4CC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4CC4

InChI

InChI=1S/C20H31N3O/c1-24-20-7-3-2-6-19(20)23-13-11-22(12-14-23)18-5-4-10-21(16-18)15-17-8-9-17/h2-3,6-7,17-18H,4-5,8-16H2,1H3/p+1/t18-/m0/s1