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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyrazin-2-yl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-3-pyrazin-2-yl-N-(3-pyridylmethyl)propanamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(2-pyrazinyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyrazin-2-yl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-3-pyrazin-2-yl-N-(3-pyridylmethyl)propionamide Formula: C27H34N5O+ MolecularWeight: 444.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-22-5-2-3-7-25(22)21-31-15-10-23(11-16-31)19-32(20-24-6-4-12-28-17-24)27(33)9-8-26-18-29-13-14-30-26/h2-7,12-14,17-18,23H,8-11,15-16,19-21H2,1H3/p+1