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

Systemtic Name: [1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium CAS Name: [1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O/c1-18-15-21(19(2)25(18)13-14-26-3)16-23-22-9-11-24(12-10-22)17-20-7-5-4-6-8-20/h4-8,15,22-23H,9-14,16-17H2,1-3H3/p+2