N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pentanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pentanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pentanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]pentanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]pentanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]valeramide Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

Isomeric SMILES

CCCCC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

InChI

InChI=1S/C19H31N3O/c1-4-5-8-19(23)20-15-18(22-13-6-7-14-22)16-9-11-17(12-10-16)21(2)3/h9-12,18H,4-8,13-15H2,1-3H3,(H,20,23)/p+1/t18-/m1/s1