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

Systemtic Name: 1-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C20H31N5O+2 MolecularWeight: 357.49304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O/c1-26-19-7-3-2-6-18(19)25-13-11-24(12-14-25)17-5-4-10-23(15-17)16-20-21-8-9-22-20/h2-3,6-9,17H,4-5,10-16H2,1H3,(H,21,22)/p+2/t17-/m0/s1