4-methyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(2S)-2-(1-naphthyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[(2S)-2-(1-naphthalenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[(2S)-2-(1-naphthyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC3=CC=CC=C32)[NH+]4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CC3=CC=CC=C32)[NH+]4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O3/c1-17-11-12-19(15-22(17)27(29)30)24(28)25-16-23(26-13-4-5-14-26)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-12,15,23H,4-5,13-14,16H2,1H3,(H,25,28)/p+1/t23-/m1/s1