4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-N-prop-2-enyl-piperidine-1-carboxamide

Systemtic Name: 4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-N-prop-2-enyl-piperidine-1-carboxamide Openeye Name: N-allyl-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidine-1-carboxamide CAS Name: 4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-N-prop-2-enyl-1-piperidinecarboxamide IUPAC Name: 4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-N-prop-2-enylpiperidine-1-carboxamide Traditional Name: N-allyl-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidine-1-carboxamide Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC(CC1)C2CC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)[C@H]2CC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c1-2-12-22-21(25)24-15-10-19(11-16-24)20-9-14-23(17-20)13-8-18-6-4-3-5-7-18/h2-7,19-20H,1,8-17H2,(H,22,25)/p+1/t20-/m0/s1