[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C22H35N4+3 MolecularWeight: 355.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H32N4/c1-18(2)26-14-11-21(12-15-26)24-16-20-10-7-13-23-22(20)25(3)17-19-8-5-4-6-9-19/h4-10,13,18,21,24H,11-12,14-17H2,1-3H3/p+3