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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[(1-isopropylpyrazol-4-yl)methyl]amine Formula: C19H35N4+ MolecularWeight: 319.508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C19H34N4/c1-16(2)23-14-18(12-21-23)11-20-19-9-6-10-22(15-19)13-17-7-4-3-5-8-17/h12,14,16-17,19-20H,3-11,13,15H2,1-2H3/p+1/t19-/m0/s1