(3S)-N-(1H-imidazol-2-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine Traditional Name: 1H-imidazol-2-ylmethyl-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]amine Formula: C20H31N4+ MolecularWeight: 327.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NCC3=NC=CN3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NCC3=NC=CN3

InChI

InChI=1S/C20H30N4/c1-16(2)12-17-5-7-18(8-6-17)14-24-11-3-4-19(15-24)23-13-20-21-9-10-22-20/h5-10,16,19,23H,3-4,11-15H2,1-2H3,(H,21,22)/p+1/t19-/m0/s1