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4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]aniline

4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]aniline

Systemtic Name:4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]aniline
Openeye Name:4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]aniline
CAS Name:4-[(S)-1-azepan-1-iumyl(cyclopropyl)methyl]aniline
IUPAC Name:4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]aniline
Traditional Name:[4-[(S)-azepan-1-ium-1-yl(cyclopropyl)methyl]phenyl]amine
Formula: C16H25N2+
MolecularWeight: 245.3831
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2CC2)C3=CC=C(C=C3)N


Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C2CC2)C3=CC=C(C=C3)N


InChI

InChI=1S/C16H24N2/c17-15-9-7-14(8-10-15)16(13-5-6-13)18-11-3-1-2-4-12-18/h7-10,13,16H,1-6,11-12,17H2/p+1/t16-/m0/s1


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