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

Systemtic Name: N-[(2S)-pentan-2-yl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[(1S)-1-methylbutyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[(2S)-pentan-2-yl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[(2S)-pentan-2-yl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: [(1S)-1-methylbutyl]-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C11H23N2+ MolecularWeight: 183.31372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=[NH+]CCCCC1

Isomeric SMILES

CCC[C@H](C)NC1=[NH+]CCCCC1

InChI

InChI=1S/C11H22N2/c1-3-7-10(2)13-11-8-5-4-6-9-12-11/h10H,3-9H2,1-2H3,(H,12,13)/p+1/t10-/m0/s1