2-[(2S)-5-(diethylamino)pentan-2-yl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[(2S)-5-(diethylamino)pentan-2-yl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(1S)-4-(diethylamino)-1-methyl-butyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(2S)-5-(diethylamino)pentan-2-yl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(2S)-5-(diethylamino)pentan-2-yl]-3H-isoindol-2-ium-1-amine Traditional Name: [(4S)-4-(3-amino-1H-isoindol-2-ium-2-yl)pentyl]-diethyl-amine Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)[N+]1=C(C2=CC=CC=C2C1)N

Isomeric SMILES

CCN(CC)CCC[C@H](C)[N+]1=C(C2=CC=CC=C2C1)N

InChI

InChI=1S/C17H27N3/c1-4-19(5-2)12-8-9-14(3)20-13-15-10-6-7-11-16(15)17(20)18/h6-7,10-11,14,18H,4-5,8-9,12-13H2,1-3H3/p+1/t14-/m0/s1