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

Systemtic Name: (3S)-N-methyl-N-(phenylmethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-N-methyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-(phenylmethyl)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-N-methyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: benzyl-methyl-[(3S)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]amine Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H28N4/c1-25(17-20-8-3-2-4-9-20)23-12-6-14-26(19-23)18-21-10-5-11-22(16-21)27-15-7-13-24-27/h2-5,7-11,13,15-16,23H,6,12,14,17-19H2,1H3/p+1/t23-/m0/s1