1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C20H30N5O+ MolecularWeight: 356.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CN=CN4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CN=CN4

InChI

InChI=1S/C20H29N5O/c1-26-20-7-3-2-6-19(20)25-11-9-24(10-12-25)18-5-4-8-23(15-18)14-17-13-21-16-22-17/h2-3,6-7,13,16,18H,4-5,8-12,14-15H2,1H3,(H,21,22)/p+1/t18-/m0/s1