(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-(3-pyrazol-1-ylbenzyl)amine Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H28N4O/c1-28-23-10-3-7-20(15-23)17-26-12-4-8-21(18-26)24-16-19-6-2-9-22(14-19)27-13-5-11-25-27/h2-3,5-7,9-11,13-15,21,24H,4,8,12,16-18H2,1H3/p+1/t21-/m0/s1