[(3S)-3-(azepan-1-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]azanium

Systemtic Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]azanium Openeye Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]ammonium CAS Name: [(3S)-3-(1-azepan-1-iumyl)-3-(1H-pyrrol-2-yl)propyl]ammonium IUPAC Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]azanium Traditional Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(1H-pyrrol-2-yl)propyl]ammonium Formula: C13H25N3+2 MolecularWeight: 223.3577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CC[NH3+])C2=CC=CN2

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CC[NH3+])C2=CC=CN2

InChI

InChI=1S/C13H23N3/c14-8-7-13(12-6-5-9-15-12)16-10-3-1-2-4-11-16/h5-6,9,13,15H,1-4,7-8,10-11,14H2/p+2/t13-/m0/s1