[[5-(diethylamino)pentan-2-ylamino]-phenoxathiin-2-yl-methyl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [[5-(diethylamino)pentan-2-ylamino]-phenoxathiin-2-yl-methyl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [[[4-(diethylamino)-1-methyl-butyl]amino]-phenoxathiin-2-yl-methyl]-hydroxy-oxo-phosphonium CAS Name: [[5-(diethylamino)pentan-2-ylamino]-(2-phenoxathiinyl)methyl]-hydroxy-oxophosphonium IUPAC Name: [[5-(diethylamino)pentan-2-ylamino]-phenoxathiin-2-ylmethyl]-hydroxy-oxophosphanium Traditional Name: [[[4-(diethylamino)-1-methyl-butyl]amino]-phenoxathiin-2-yl-methyl]-hydroxy-keto-phosphonium Formula: C22H30N2O3PS+ MolecularWeight: 433.523961

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)[P+](=O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)[P+](=O)O

InChI

InChI=1S/C22H29N2O3PS/c1-4-24(5-2)14-8-9-16(3)23-22(28(25)26)17-12-13-19-21(15-17)29-20-11-7-6-10-18(20)27-19/h6-7,10-13,15-16,22-23H,4-5,8-9,14H2,1-3H3/p+1