N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (1,5-dimethylpyrrol-2-yl)methyl-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C13H22N3+ MolecularWeight: 220.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC2=[NH+]CCCCC2

Isomeric SMILES

CC1=CC=C(N1C)CNC2=[NH+]CCCCC2

InChI

InChI=1S/C13H21N3/c1-11-7-8-12(16(11)2)10-15-13-6-4-3-5-9-14-13/h7-8H,3-6,9-10H2,1-2H3,(H,14,15)/p+1