(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-N-methyl-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-1-phenethylpiperidin-1-ium-3-amine Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C22H35N4+ MolecularWeight: 355.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCN(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4/c1-19-17-20(2)26(23-19)15-8-13-24(3)22-11-7-14-25(18-22)16-12-21-9-5-4-6-10-21/h4-6,9-10,17,22H,7-8,11-16,18H2,1-3H3/p+1/t22-/m0/s1