[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-(p-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: [4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-(4-methylbenzyl)-(4-pyridylmethyl)ammonium Formula: C27H35N3O+2 MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC(=C(C=C3)OC)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC(=C(C=C3)OC)C[NH+]4CCCC4

InChI

InChI=1S/C27H33N3O/c1-22-5-7-23(8-6-22)18-30(19-24-11-13-28-14-12-24)20-25-9-10-27(31-2)26(17-25)21-29-15-3-4-16-29/h5-14,17H,3-4,15-16,18-21H2,1-2H3/p+2