[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(3-methoxyphenyl)methyl]azanium Openeye Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: [2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-m-anisyl-ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC(=CC=C3)OC

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H29N3O/c1-24(19-10-4-3-5-11-19)21-18(9-7-13-23-21)16-22-15-17-8-6-12-20(14-17)25-2/h6-9,12-14,19,22H,3-5,10-11,15-16H2,1-2H3/p+2