N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(piperidin-1-ium-4-ylmethyl)pentanamide

Systemtic Name: N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-(piperidin-1-ium-4-ylmethyl)pentanamide Openeye Name: N-[(E)-2-methyl-3-phenyl-allyl]-N-(piperidin-1-ium-4-ylmethyl)pentanamide CAS Name: N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(4-piperidin-1-iumylmethyl)pentanamide IUPAC Name: N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(piperidin-1-ium-4-ylmethyl)pentanamide Traditional Name: N-[(E)-2-methyl-3-phenyl-allyl]-N-(piperidin-1-ium-4-ylmethyl)valeramide Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1CC[NH2+]CC1)CC(=CC2=CC=CC=C2)C

Isomeric SMILES

CCCCC(=O)N(CC1CC[NH2+]CC1)C/C(=C/C2=CC=CC=C2)/C

InChI

InChI=1S/C21H32N2O/c1-3-4-10-21(24)23(17-20-11-13-22-14-12-20)16-18(2)15-19-8-6-5-7-9-19/h5-9,15,20,22H,3-4,10-14,16-17H2,1-2H3/p+1/b18-15+