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

Systemtic Name: [4-[(2R)-2-azanyl-3-sulfanyl-propyl]-4-butyl-piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(2R)-2-amino-3-sulfanyl-propyl]-4-butyl-piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(2R)-2-amino-3-mercaptopropyl]-4-butyl-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(2R)-2-amino-3-sulfanylpropyl]-4-butylpiperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[(2R)-2-amino-3-mercapto-propyl]-4-butyl-piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)CC(CS)N

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C[C@H](CS)N

InChI

InChI=1S/C22H31N3OS/c1-2-3-13-25(16-19(23)17-27)14-11-24(12-15-25)22(26)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,19H,2-3,11-17,23H2,1H3/p+1/t19-/m1/s1