N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)-N-(3-pyridylmethyl)propanamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-pyridin-4-yl-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)-N-(3-pyridylmethyl)propionamide Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C28H34N4O/c1-23-5-2-3-7-27(23)22-31-17-12-25(13-18-31)20-32(21-26-6-4-14-30-19-26)28(33)9-8-24-10-15-29-16-11-24/h2-7,10-11,14-16,19,25H,8-9,12-13,17-18,20-22H2,1H3/p+1