[(3S)-1-[3-[methyl(phenyl)amino]propyl]pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-1-[3-[methyl(phenyl)amino]propyl]pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-[3-(N-methylanilino)propyl]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-1-[3-(N-methylanilino)propyl]-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-[3-(N-methylanilino)propyl]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-[3-(N-methylanilino)propyl]pyrrolidin-1-ium-3-yl]methylammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCC(C1)C[NH3+])C2=CC=CC=C2

Isomeric SMILES

CN(CCC[NH+]1CC[C@H](C1)C[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C15H25N3/c1-17(15-6-3-2-4-7-15)9-5-10-18-11-8-14(12-16)13-18/h2-4,6-7,14H,5,8-13,16H2,1H3/p+2/t14-/m0/s1