diethyl-[(4S)-4-[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[(4-hydroxy-3-methoxy-phenyl)methylammonio]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[(4-hydroxy-3-methoxyphenyl)methylammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[(4-hydroxy-3-methoxyphenyl)methylazaniumyl]pentyl]azanium Traditional Name: diethyl-[(4S)-4-(vanillylammonio)pentyl]ammonium Formula: C17H32N2O2+2 MolecularWeight: 296.44818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C17H30N2O2/c1-5-19(6-2)11-7-8-14(3)18-13-15-9-10-16(20)17(12-15)21-4/h9-10,12,14,18,20H,5-8,11,13H2,1-4H3/p+2/t14-/m0/s1