(3S)-N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-indan-2-yl-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpiperidin-1-ium-3-amine Traditional Name: (2-butyl-1H-imidazol-3-ium-5-yl)methyl-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-methyl-amine Formula: C23H36N4+2 MolecularWeight: 368.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H34N4/c1-3-4-11-23-24-15-20(25-23)16-26(2)21-10-7-12-27(17-21)22-13-18-8-5-6-9-19(18)14-22/h5-6,8-9,15,21-22H,3-4,7,10-14,16-17H2,1-2H3,(H,24,25)/p+2/t21-/m0/s1