1-hexadecyl-1-(pyrrol-1-ylmethyl)pyrrolidin-1-ium-2-one

Systemtic Name: 1-hexadecyl-1-(pyrrol-1-ylmethyl)pyrrolidin-1-ium-2-one Openeye Name: 1-hexadecyl-1-(pyrrol-1-ylmethyl)pyrrolidin-1-ium-2-one CAS Name: 1-hexadecyl-1-(1-pyrrolylmethyl)-2-pyrrolidin-1-iumone IUPAC Name: 1-hexadecyl-1-(pyrrol-1-ylmethyl)pyrrolidin-1-ium-2-one Traditional Name: 1-cetyl-1-(pyrrol-1-ylmethyl)pyrrolidin-1-ium-2-one Formula: C25H45N2O+ MolecularWeight: 389.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2C=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2C=CC=C2

InChI

InChI=1S/C25H45N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27(23-18-19-25(27)28)24-26-20-15-16-21-26/h15-16,20-21H,2-14,17-19,22-24H2,1H3/q+1