(3S)-N-methyl-N-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-N-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-phenethylpiperidin-1-ium-3-amine Traditional Name: methyl-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C22H35N4+ MolecularWeight: 355.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)CN(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C=N1)CN(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4/c1-4-13-26-19(2)21(16-23-26)17-24(3)22-11-8-14-25(18-22)15-12-20-9-6-5-7-10-20/h5-7,9-10,16,22H,4,8,11-15,17-18H2,1-3H3/p+1/t22-/m0/s1