[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyl]ammonium CAS Name: [2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyl]ammonium Formula: C23H37N3+2 MolecularWeight: 355.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H35N3/c1-18(2)16-26-19(3)14-22(20(26)4)15-24-23-10-12-25(13-11-23)17-21-8-6-5-7-9-21/h5-9,14,18,23-24H,10-13,15-17H2,1-4H3/p+2