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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)cycloheptanecarboxamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)cycloheptanecarboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)cycloheptanecarboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)cycloheptanecarboxamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)cycloheptanecarboxamide Formula: C28H40N3O+ MolecularWeight: 434.6367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4CCCCCC4

InChI

InChI=1S/C28H39N3O/c1-23-9-6-7-13-27(23)22-30-17-14-24(15-18-30)20-31(21-25-10-8-16-29-19-25)28(32)26-11-4-2-3-5-12-26/h6-10,13,16,19,24,26H,2-5,11-12,14-15,17-18,20-22H2,1H3/p+1