[(2S)-2-(azepan-1-yl)-2-(1H-pyrrol-2-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-yl)-2-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-yl)-2-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepanyl)-2-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-yl)-2-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-yl)-2-(1H-pyrrol-2-yl)ethyl]ammonium Formula: C12H22N3+ MolecularWeight: 208.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C[NH3+])C2=CC=CN2

Isomeric SMILES

C1CCCN(CC1)[C@@H](C[NH3+])C2=CC=CN2

InChI

InChI=1S/C12H21N3/c13-10-12(11-6-5-7-14-11)15-8-3-1-2-4-9-15/h5-7,12,14H,1-4,8-10,13H2/p+1/t12-/m0/s1