(3S)-N-(3,4-dimethylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CN(N=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4/c1-14-6-7-17(9-15(14)2)20-18-5-4-8-22(13-18)12-16-10-19-21(3)11-16/h6-7,9-11,18,20H,4-5,8,12-13H2,1-3H3/p+1/t18-/m0/s1