[(4S)-4-[(2-aminocarbonylphenyl)methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(2-aminocarbonylphenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(2-carbamoylphenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(2-carbamoylphenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(2-carbamoylphenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(2-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=C1C(=O)N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC=CC=C1C(=O)N

InChI

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