N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]-N-(1H-imidazol-3-ium-2-ylmethyl)-2-methoxy-ethanamine

Systemtic Name: N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]-N-(1H-imidazol-3-ium-2-ylmethyl)-2-methoxy-ethanamine Openeye Name: N-(1H-imidazol-3-ium-2-ylmethyl)-N-[[(3R)-1-indan-2-ylpiperidin-1-ium-3-yl]methyl]-2-methoxy-ethanamine CAS Name: N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]methyl]-N-(1H-imidazol-3-ium-2-ylmethyl)-2-methoxyethanamine IUPAC Name: N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]methyl]-N-(1H-imidazol-3-ium-2-ylmethyl)-2-methoxyethanamine Traditional Name: 1H-imidazol-3-ium-2-ylmethyl-[[(3R)-1-indan-2-ylpiperidin-1-ium-3-yl]methyl]-(2-methoxyethyl)amine Formula: C22H34N4O+2 MolecularWeight: 370.53156

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1CCC[NH+](C1)C2CC3=CC=CC=C3C2)CC4=[NH+]C=CN4

Isomeric SMILES

COCCN(C[C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)CC4=[NH+]C=CN4

InChI

InChI=1S/C22H32N4O/c1-27-12-11-25(17-22-23-8-9-24-22)15-18-5-4-10-26(16-18)21-13-19-6-2-3-7-20(19)14-21/h2-3,6-9,18,21H,4-5,10-17H2,1H3,(H,23,24)/p+2/t18-/m1/s1