(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amine Formula: C22H31N4+ MolecularWeight: 351.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2CCC[NH+](C2)C3CC4=CC=CC=C4C3)CC=C

Isomeric SMILES

CC1=NN(C=C1CN[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)CC=C

InChI

InChI=1S/C22H30N4/c1-3-10-26-15-20(17(2)24-26)14-23-21-9-6-11-25(16-21)22-12-18-7-4-5-8-19(18)13-22/h3-5,7-8,15,21-23H,1,6,9-14,16H2,2H3/p+1/t21-/m0/s1