(3S)-N-(1H-imidazol-5-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-amine Traditional Name: 1H-imidazol-5-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=CN=CN3

Isomeric SMILES

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

InChI

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