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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=[NH+]C=CN4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=[NH+]C=CN4

InChI

InChI=1S/C20H29N5O/c1-26-19-6-4-17(5-7-19)24-11-13-25(14-12-24)18-3-2-10-23(15-18)16-20-21-8-9-22-20/h4-9,18H,2-3,10-16H2,1H3,(H,21,22)/p+2/t18-/m0/s1