(3S)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: p-cumenyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]amine Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC=NN3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC=NN3

InChI

InChI=1S/C18H26N4/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-11-22(12-17)13-18-9-10-19-21-18/h5-10,14,17,20H,3-4,11-13H2,1-2H3,(H,19,21)/p+1/t17-/m0/s1