N-[(2E)-2-(phenylmethylidene)heptyl]-N-(piperidin-1-ium-4-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[(2E)-2-(phenylmethylidene)heptyl]-N-(piperidin-1-ium-4-ylmethyl)furan-2-carboxamide Openeye Name: N-[(2E)-2-benzylideneheptyl]-N-(piperidin-1-ium-4-ylmethyl)furan-2-carboxamide CAS Name: N-[(2E)-2-(phenylmethylene)heptyl]-N-(4-piperidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-[(2E)-2-benzylideneheptyl]-N-(piperidin-1-ium-4-ylmethyl)furan-2-carboxamide Traditional Name: N-[(E)-2-amyl-3-phenyl-allyl]-N-(piperidin-1-ium-4-ylmethyl)-2-furamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CC2CC[NH2+]CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/CN(CC2CC[NH2+]CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C25H34N2O2/c1-2-3-5-11-23(18-21-9-6-4-7-10-21)20-27(19-22-13-15-26-16-14-22)25(28)24-12-8-17-29-24/h4,6-10,12,17-18,22,26H,2-3,5,11,13-16,19-20H2,1H3/p+1/b23-18+