(3S)-N-methyl-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C23H35N4+ MolecularWeight: 367.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C2CCC[NH+](C2)CCCC3=CC=CC=C3)CC=C

Isomeric SMILES

CC1=NN(C=C1CN(C)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C23H34N4/c1-4-14-27-18-22(20(2)24-27)17-25(3)23-13-9-16-26(19-23)15-8-12-21-10-6-5-7-11-21/h4-7,10-11,18,23H,1,8-9,12-17,19H2,2-3H3/p+1/t23-/m0/s1