(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-amine Traditional Name: [(3S)-1-m-anisyl-3-piperidyl]-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CNC2CCCN(C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[N+]1=C(NC=C1)CN[C@H]2CCCN(C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H26N4O/c1-21-10-8-19-18(21)12-20-16-6-4-9-22(14-16)13-15-5-3-7-17(11-15)23-2/h3,5,7-8,10-11,16,20H,4,6,9,12-14H2,1-2H3/p+1/t16-/m0/s1