(3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C19H29N4+ MolecularWeight: 313.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CN(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4/c1-15(2)17-6-8-18(9-7-17)21-19-5-4-10-23(14-19)13-16-11-20-22(3)12-16/h6-9,11-12,15,19,21H,4-5,10,13-14H2,1-3H3/p+1/t19-/m0/s1