N-butyl-1-(naphthalen-1-ylmethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-(naphthalen-1-ylmethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-(1-naphthalenylmethyl)-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide Formula: C28H35N2O+ MolecularWeight: 415.5903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H34N2O/c1-2-3-18-30(21-23-10-5-4-6-11-23)28(31)25-16-19-29(20-17-25)22-26-14-9-13-24-12-7-8-15-27(24)26/h4-15,25H,2-3,16-22H2,1H3/p+1