[4-[(2R)-2-azanyl-3-sulfanyl-propyl]-4-butyl-piperazin-4-ium-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [4-[(2R)-2-azanyl-3-sulfanyl-propyl]-4-butyl-piperazin-4-ium-1-yl]-quinolin-8-yl-methanone Openeye Name: [4-[(2R)-2-amino-3-sulfanyl-propyl]-4-butyl-piperazin-4-ium-1-yl]-(8-quinolyl)methanone CAS Name: [4-[(2R)-2-amino-3-mercaptopropyl]-4-butyl-1-piperazin-4-iumyl]-(8-quinolinyl)methanone IUPAC Name: [4-[(2R)-2-amino-3-sulfanylpropyl]-4-butylpiperazin-4-ium-1-yl]-quinolin-8-ylmethanone Traditional Name: [4-[(2R)-2-amino-3-mercapto-propyl]-4-butyl-piperazin-4-ium-1-yl]-(8-quinolyl)methanone Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=C2N=CC=C3)CC(CS)N

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=C2N=CC=C3)C[C@H](CS)N

InChI

InChI=1S/C21H30N4OS/c1-2-3-12-25(15-18(22)16-27)13-10-24(11-14-25)21(26)19-8-4-6-17-7-5-9-23-20(17)19/h4-9,18H,2-3,10-16,22H2,1H3/p+1/t18-/m1/s1