N-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NCCC[NH+]2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NCCC[NH+]2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-13-6-7-15(12-16(13)19(20)21)14(2)17-8-5-11-18-9-3-4-10-18/h6-7,12,14,17H,3-5,8-11H2,1-2H3/p+1/t14-/m0/s1