[(4S)-4-[(3-cyanophenyl)methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(3-cyanophenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(3-cyanophenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(3-cyanophenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(3-cyanophenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(3-cyanobenzyl)ammonio]pentyl]-diethyl-ammonium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC=CC(=C1)C#N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C17H27N3/c1-4-20(5-2)11-7-8-15(3)19-14-17-10-6-9-16(12-17)13-18/h6,9-10,12,15,19H,4-5,7-8,11,14H2,1-3H3/p+2/t15-/m0/s1