[azanyl-[3-(azepan-1-ium-1-ylmethyl)phenyl]methylidene]azanium

Systemtic Name: [azanyl-[3-(azepan-1-ium-1-ylmethyl)phenyl]methylidene]azanium Openeye Name: [amino-[3-(azepan-1-ium-1-ylmethyl)phenyl]methylene]ammonium CAS Name: [amino-[3-(1-azepan-1-iumylmethyl)phenyl]methylidene]ammonium IUPAC Name: [amino-[3-(azepan-1-ium-1-ylmethyl)phenyl]methylidene]azanium Traditional Name: [amino-[3-(azepan-1-ium-1-ylmethyl)phenyl]methylene]ammonium Formula: C14H23N3+2 MolecularWeight: 233.35252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=[NH2+])N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=[NH2+])N

InChI

InChI=1S/C14H21N3/c15-14(16)13-7-5-6-12(10-13)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H3,15,16)/p+2