(2S)-2-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide

Systemtic Name: (2S)-2-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Openeye Name: (2S)-2-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide CAS Name: (2S)-2-phenyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]butanamide IUPAC Name: (2S)-2-phenyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]butanamide Traditional Name: (2S)-2-phenyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]butyramide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H25N3O/c1-2-18(17-8-4-3-5-9-17)20(24)22-15-16-10-11-21-19(14-16)23-12-6-7-13-23/h3-5,8-11,14,18H,2,6-7,12-13,15H2,1H3,(H,22,24)/p+1/t18-/m0/s1