[(2S)-1-[2,3-bis(azanyl)propyl]-2-butyl-piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(2S)-1-[2,3-bis(azanyl)propyl]-2-butyl-piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(2S)-2-butyl-1-(2,3-diaminopropyl)piperazin-1-ium-1-yl]-(1-naphthyl)methanone CAS Name: [(2S)-2-butyl-1-(2,3-diaminopropyl)-1-piperazin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(2S)-2-butyl-1-(2,3-diaminopropyl)piperazin-1-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(2S)-2-butyl-1-(2,3-diaminopropyl)piperazin-1-ium-1-yl]-(1-naphthyl)methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCC[N+]1(CC(CN)N)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCC[C@H]1CNCC[N+]1(CC(CN)N)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H33N4O/c1-2-3-9-19-15-25-12-13-26(19,16-18(24)14-23)22(27)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,25H,2-3,9,12-16,23-24H2,1H3/q+1/t18?,19-,26?/m0/s1