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

Systemtic Name: [(4S)-4-[(3-aminocarbonylphenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(3-carbamoylphenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(3-carbamoylphenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(3-carbamoylphenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(3-carbamoylbenzyl)ammonio]pentyl]-diethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-4-20(5-2)11-7-8-14(3)19-13-15-9-6-10-16(12-15)17(18)21/h6,9-10,12,14,19H,4-5,7-8,11,13H2,1-3H3,(H2,18,21)/p+2/t14-/m0/s1