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

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methyl]-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2,3-dimethyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (2,3-dimethyl-1H-imidazol-3-ium-4-yl)methyl-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amine Formula: C20H30N4+2 MolecularWeight: 326.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)CNC2CCC[NH+](C2)C3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=[N+](C(=CN1)CN[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H28N4/c1-15-21-12-20(23(15)2)13-22-18-8-5-9-24(14-18)19-10-16-6-3-4-7-17(16)11-19/h3-4,6-7,12,18-19,22H,5,8-11,13-14H2,1-2H3/p+2/t18-/m0/s1