[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=[N+](C=CN3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=[N+](C=CN3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N4O/c1-27(17-14-21-7-4-3-5-8-21)23-9-6-16-28(19-23)20-25-26-15-18-29(25)22-10-12-24(30-2)13-11-22/h3-5,7-8,10-13,15,18,23H,6,9,14,16-17,19-20H2,1-2H3/p+2/t23-/m0/s1